Molecule

ID:78619

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆BNO₂
Molecular Mass
287.20484
Exact Mass
287.20565948
Charge
0
InChI
InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)14-9-8-10-15(13-14)19-11-6-5-7-12-19/h8-10,13H,5-7,11-12H2,1-4H3
InChIKey
IIUXWPXCCXVCPD-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cccc(c1)N1CCCCC1
Isomeric Smiles
O1B(c2cccc(c2)N2CCCCC2)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.862264
LogD (pH = 7.4)
4.8863835
Log P
4.8867
Molar Refractivity
82.2837
Polarizability
33.630615
Polar Surface Area
21.7
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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